NatID | 1144 |
Common Name | NatID_1144 |
Molecular Formula | C11H16O3 |
Chemical Class | Benzofurans |
Molecular Weight | 196.110 g/mol |
Other names |
Smiles | CC1(C)C[C@@H](O)C[C@@]2(C)OC(=O)C=C12 |
Inchi | InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11-/m1/s1 |
Inchi Key | XEVQXKKKAVVSMW-RDDDGLTNSA-N |
3D Structure |
clogP | 1.41 |
TPSA | 46.53 |
HBD | 1 |
HBA | 3 |
Rotatable Bonds | 0 |
Aromatic Rings | 0 |
Heavy Atoms | 14 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 3 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9340 | Baccharis scandens | No | Unknown | Borkosky, S., Valdés, D. A., Bardón, A., Díaz, J. G., & Herz, W. (1996). Sesquiterpene lactones and other constituents of eirmocephala megaphylla and Cyrtocymura cincta. Phytochemistry, 42(6), 1637–1639. https://doi.org/10.1016/0031-9422(96)82943-8 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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